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methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate - 97%, high purity , CAS No.41088-52-2

COA

Grade & Purity:

≥97%

Cas Number: 41088-52-2
Molecular Weight: 156.18
PubChem CID: 12770164

In stock

Item Number

M635916

Grouped product items
SKU	Size	Availability	Price
M635916-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
M635916-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
M635916-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90
M635916-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$446.90

View related series

Bridging ring compounds (18) Ethylene oxide (64)

Basic Description

Synonyms	A873147 \| Methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate \| 3,4-epoxycyclohexanecarboxylate methyl ester \| Z1255374199 \| Methyl7-oxabicyclo[4.1.0]heptane-3-carboxylate \| DTXSID00884680 \| MFCD13185927 \| 7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, methyl
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxepanes
Alternative Parents	Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Oxepane - Methyl ester - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
INCHI	InChI=1S/C8H12O3/c1-10-8(9)5-2-3-6-7(4-5)11-6/h5-7H,2-4H2,1H3
InChIKey	QCGKUFZYSPBMAY-UHFFFAOYSA-N
Smiles	COC(=O)C1CCC2C(C1)O2
Isomeric SMILES	COC(=O)C1CCC2C(C1)O2
Alternate CAS	41088-52-2
PubChem CID	12770164
Molecular Weight	156.18

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Heat sensitive
Molecular Weight	156.180 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	156.079 Da
Monoisotopic Mass	156.079 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	178.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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